2-methylindole

Synonyms: "2-methyl-1H-indole", "2-methyl indole", "2-methylindol", "methyl indole", "2-methyl-indole", "2-methyl-1-H-indole".

Source: 2-Methylindole is used as an intermediate for the synthesis of dyes, pigments, optical brighteners and pharmaceuticals.

Identifiers:

IUPAC Name: 2-methyl-1H-indole
CAS Number: 95-20-5
PubChem ID: 7224
InChiKey: BHNHHSOHWZKFOX-UHFFFAOYSA-N
Canonical SMILES: CC1=CC2=CC=CC=C2N1

Structural Properties:

Molecular Formula: C₉H₉N
Molecular Weight: 131.178

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 0
Number of atoms different from hydrogen: 10

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Benisek M, Blaha L, Hilscherova K. 2008. Interference of PAHs and their N-heterocyclic analogs with signaling of retinoids in vitro. Toxicol in Vitro 22(8):1909-1917. DOI: 10.1016/j.tiv.2008.09.009. URL: http://www.sciencedirect.com/science/article/pii/S0887233308002373?via%3Dihub.